Basic information
- CAS
3704-26-5- Standard SMILES
COc1cc(C(=O)N2CCCCC2)cc(OC)c1OC- InChIKey
MDFLEQBDVHQKNX-UHFFFAOYSA-N- Molecular formula
- C15H21NO4
- Average molar mass
- 279.33 g/mol
- Monoisotopic mass
- 279.14705815
Names & identifiers
- Preferred name
- Piperidine, 1-(3,4,5-trimethoxybenzoyl)-
- IUPAC
- piperidin-1-yl-(3,4,5-trimethoxyphenyl)methanone
- English name
- 1-(3,4,5-Trimethoxybenzoyl)piperidine
- Molecular formula
- C15H21NO4
- Molecular weight
- 279.33
Names & synonyms
Piperidine, 1-(3,4,5-trimethoxybenzoyl)-N-(3,4,5-Trimethoxybenzoyl)piperidine3704-26-5BRN 1292677DTXSID901905405-20-03-00101 (Beilstein Handbook Reference)RefChem:373021DTXCID30113031(Piperidin-1-yl)(3,4,5-trimethoxyphenyl)methanonepiperidin-1-yl-(3,4,5-trimethoxyphenyl)methanone1-(3,4,5-trimethoxybenzoyl)piperidineCambridge id 5275858
Show more names
Methanone, 1-piperidinyl(3,4,5-trimethoxyphenyl)-
Oprea1_792879CBDivE_016215HMS1580C03AKOS001132478piperidyl 3,4,5-trimethoxyphenyl ketoneST50720609AB00078708-01AH-034/07291054
Database identifiers
- CAS
3704-26-5- PubChem CID
- 77295
- DTXSID
DTXSID90190540- Nikkaji
- J50.687G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Melting point
- 132 °C · 132 °C(Solv: methanol (67-56-1))
- Boiling point
- 444.4 · 444.4±45.0 °C(Predicted)
- Density
- 1.133 · 1.133±0.06 g/cm3(Predicted)
- pka
- -1.29 · -1.29±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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